CID 6326972

3-selenoalanine

Structural Information

Molecular Formula

C₃H₆NO₂Se

SMILES

C(C(C(=O)O)N)[Se]

InChI

InChI=1S/C3H6NO2Se/c4-2(1-7)3(5)6/h2H,1,4H2,(H,5,6)

InChIKey

FDKWRPBBCBCIGA-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1415
References: 27681
Patents: 167.95638 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	168.96366	129.2
[M+Na]+	190.94560	137.1
[M+NH4]+	185.99020	135.9
[M+K]+	206.91954	133.7
[M-H]-	166.94910	127.5
[M+Na-2H]-	188.93105	130.9
[M]+	167.95583	129.3
[M]-	167.95693	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe